N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine

C11H25NO2S — CID 115848324

IUPACN-ethyl-5-methyl-1-methylsulfonylheptan-3-amine
SMILESCCNC(CCS(C)(=O)=O)CC(C)CC
InChIInChI=1S/C11H25NO2S/c1-5-10(3)9-11(12-6-2)7-8-15(4,13)14/h10-12H,5-9H2,1-4H3
InChIKeyTWFWWEMJTYQQLJ-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine

N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine (PubChem CID 115848324) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-1-methylsulfonylheptan-3-amine
PubChem CID115848324
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-5-methyl-1-methylsulfonylheptan-3-amine
SMILESCCNC(CCS(C)(=O)=O)CC(C)CC
InChIInChI=1S/C11H25NO2S/c1-5-10(3)9-11(12-6-2)7-8-15(4,13)14/h10-12H,5-9H2,1-4H3
InChIKeyTWFWWEMJTYQQLJ-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
2-(Cyclohexylmethylazaniumyl)ethanesulfonate
CID 152757612
(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine
CID 75483309
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
(1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine
CID 97070215
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
(3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine
CID 164634032
2-((2-Ethylhexyl)amino)ethanesulphonic acid
CID 3023955
4-[2-(Methylsulfonyl)ethyl]piperidine
CID 59452715
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
Sodium 2-((2-ethylhexyl)amino)ethanesulphonate
CID 23662637

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine?
The IUPAC name of N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine (CID 115848324) is N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine.
What is the SMILES notation for N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine?
The canonical SMILES for N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine is CCNC(CCS(C)(=O)=O)CC(C)CC.
What is the InChIKey of N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine?
The InChIKey is TWFWWEMJTYQQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-10(3)9-11(12-6-2)7-8-15(4,13)14/h10-12H,5-9H2,1-4H3.
What are the key properties of N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine?
N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine is sourced from PubChem (CID 115848324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).